(2S)-2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2,5-dihydro-1,5-benzothiazepine CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-4-(2-furanyl)-2,5-dihydro-1,5-benzothiazepine IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-4-(furan-2-yl)-2,5-dihydro-1,5-benzothiazepine Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-4-(2-furyl)-2,5-dihydro-1,5-benzothiazepine Formula: C20H15NO3S MolecularWeight: 349.403

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=CC=CC=C4S3)C5=CC=CO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3C=C(NC4=CC=CC=C4S3)C5=CC=CO5

InChI

InChI=1S/C20H15NO3S/c1-2-6-19-14(4-1)21-15(16-5-3-9-22-16)11-20(25-19)13-7-8-17-18(10-13)24-12-23-17/h1-11,20-21H,12H2/t20-/m0/s1